HRID317516

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

HCID6058

Cysteamine

C2H7NS

HCID8471

Triethylamine

C6H15N

结构：CON=C(C=O)c1ccccc1ON=C(C)c1cccc(C(F)(F)F)c1

HCID86584678

未命名化合物

PRODUCTS

生成物

结构：CON=C(c1ccccc1ON=C(C)c1cccc(C(F)(F)F)c1)C1NCCS1

HCID53980081

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-636c097f05ad444db9c66ce65d98b570
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:46]([OH:47])[CH2:48][CH2:49][CH3:50].[CH3:13][CH2:14][N:15]([CH2:16][CH3:17])[CH2:18][CH3:19].[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[CH3:20][C:21]([c:22]1[cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[cH:25][cH:26][cH:27]1)=[N:32][O:33][c:34]1[c:35]([C:40]([CH:41]=[O:42])=[N:43][O:44][CH3:45])[cH:36][cH:37][cH:38][cH:39]1.[ClH:8].[NH2:9][CH2:10][CH2:11][SH:12]>>[NH:9]1[CH2:10][CH2:11][S:12][CH:41]1[C:40]([c:35]1[c:34]([O:33][N:32]=[C:21]([CH3:20])[c:22]2[cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[cH:25][cH:26][cH:27]2)[cH:39][cH:38][cH:37][cH:36]1)=[N:43][O:44][CH3:45]